N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide

C15H17N3O2S — CID 114824222

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)CO1
InChIInChI=1S/C15H17N3O2S/c1-9-6-11(7-20-9)14(19)18-15-17-13(8-21-15)10-2-4-12(16)5-3-10/h2-5,8-9,11H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyWVZDUSGFICOWJR-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.76
Rot. Bonds3

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide (PubChem CID 114824222) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
PubChem CID114824222
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)CO1
InChIInChI=1S/C15H17N3O2S/c1-9-6-11(7-20-9)14(19)18-15-17-13(8-21-15)10-2-4-12(16)5-3-10/h2-5,8-9,11H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyWVZDUSGFICOWJR-UHFFFAOYSA-N
XLogP2.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
CID 62698343
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide (CID 114824222) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)CO1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide?
The InChIKey is WVZDUSGFICOWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-6-11(7-20-9)14(19)18-15-17-13(8-21-15)10-2-4-12(16)5-3-10/h2-5,8-9,11H,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114824222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).